Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16112819 | 1.00 | NT5E (0.54) | NT5EPABPC1HDAC4PTGESKDM4E | |
| SCHEMBL30134165 | 0.93 | NT5E (0.54) | NT5EPABPC1HDAC4PTGESKDM4E | |
| SCHEMBL20364201 | 0.93 | NT5E (0.54) | NT5EPABPC1HDAC4PTGESKDM4E | |
| SCHEMBL13208485 | 0.82 | PABPC1 (0.41) | NT5EPABPC1PTGESHTTCYP1A2 | |
| SCHEMBL30134297 | 0.79 | NT5E (0.44) | NT5EPABPC1HDAC4PTGESHTT | |
| SCHEMBL14242807 | 0.79 | ESR2 (0.42) | NT5EHDAC4KDM4EHTTMAPT | |
| SCHEMBL20364204 | 0.79 | TLR9 (0.50) | NT5EHDAC4KDM4EHTTPIK3CA | |
| SCHEMBL13347723 | 0.79 | NQO2 (0.46) | HDAC4KDM4EHTTCYP1A2LMNA | |
| SCHEMBL30702108 | 0.79 | TLR9 (0.50) | NT5EHDAC4KDM4EHTTPIK3CA | |
| Hydrochloric Acid SCHEMBL28217861 | 0.77 | TLR9 (0.49) | NT5EHDAC4KDM4EHTTPIK3CA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114144413-A | PARP1 inhibitors | 阿斯利康(瑞典)有限公司 | 2022-03-04 | — | — | CN | disclosed |